BDBM50041218 3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1-imino-ethyl)-pyrrolidin-3-yloxy]-phenyl}-propionic acid::CHEMBL19660
SMILES: CC(=N)N1CC[C@@H](C1)Oc1ccc(cc1)C(Cc1ccc2ccc(cc2c1)C(N)=N)C(O)=O
InChI Key: InChIKey=AGRCGQSFFMCBRE-UXMRNZNESA-N
Data: 4 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Coagulation factor X (Homo sapiens (Human)) | BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description In vitro evaluation for the concentration needed for inhibiting factor Xa by 50% | J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against Coagulation factor II | Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Central Pharmaceutical Research Institute Curated by ChEMBL | Assay Description Inhibitory concentration against human Coagulation factor X | Bioorg Med Chem Lett 14: 4281-6 (2004) Article DOI: 10.1016/j.bmcl.2004.05.092 BindingDB Entry DOI: 10.7270/Q22808C7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50041218 (3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[(S)-1-(1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | >1.20E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Daiichi Pharmaceutical Company, Ltd. Curated by ChEMBL | Assay Description In vitro evaluation for the concentration needed for inhibiting thrombin by 50% | J Med Chem 37: 1200-7 (1994) BindingDB Entry DOI: 10.7270/Q2FF3RF6 | |||||||||||
More data for this Ligand-Target Pair |